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CHEBI:177858 - gosogliptin

ChEBI IDCHEBI:177858
ChEBI Namegosogliptin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24F2N6O
Net Charge0
Average Mass366.416
Monoisotopic Mass366.19797
SMILESO=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1)N1CCC(F)(F)C1
InChIInChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
InChIKeyQWEWGXUTRTXFRF-KBPBESRZSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
gosogliptin (CHEBI:177858) is a amino acid amide (CHEBI:22475)
IUPAC Name 
(3,3-diluoropyrrolidin-1-yl)-[(2S,4S)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-yl]methanone
Manual XrefsDatabases
DB08382DrugBank
D09625KEGG DRUG
9690926ChemSpider
PF2PDBeChem
Registry NumbersSources
CAS:869490-23-3ChemIDplus